Information card for entry 7053013

Structure parameters

• Common name: (4-(Diethylamino)phenyl)(pyridine-2-yl)methanol
• Chemical name: (4-(Diethylamino)phenyl)(pyridine-2-yl)methanol
• Formula: C16 H20 N2 O
• Calculated formula: C16 H20 N2 O
• SMILES: c1(C(c2ccc(cc2)N(CC)CC)O)ncccc1
• Title of publication: Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols
• Authors of publication: Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 3
• Pages of publication: 563
• a: 11.7951 ± 0.0006 Å
• b: 9.4577 ± 0.0005 Å
• c: 12.8525 ± 0.0007 Å
• α: 90°
• β: 91.093 ± 0.005°
• γ: 90°
• Cell volume: 1433.49 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No